3-[3-[2-(azanylmethylideneamino)-3-oxidanyl-propyl]sulfanylpyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[3-[2-(azanylmethylideneamino)-3-oxidanyl-propyl]sulfanylpyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[[3-[2-(aminomethyleneamino)-3-hydroxy-propyl]sulfanyl-4-pyridyl]sulfanyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[3-[[2-(aminomethylideneamino)-3-hydroxypropyl]thio]-4-pyridinyl]thio]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[3-[2-(aminomethylideneamino)-3-hydroxypropyl]sulfanylpyridin-4-yl]sulfanyl-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[3-[[2-(aminomethyleneamino)-3-hydroxy-propyl]thio]-4-pyridyl]thio]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H21N8O6S4- MolecularWeight: 609.70144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)[O-])SC4=C(C=NC=C4)SCC(CO)N=CN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)[O-])SC4=C(C=NC=C4)SCC(CO)N=CN

InChI

InChI=1S/C21H22N8O6S4/c22-8-25-9(4-30)5-36-12-3-24-2-1-11(12)39-13-7-37-19-15(18(32)29(19)16(13)20(33)34)27-17(31)14(28-35)10-6-38-21(23)26-10/h1-3,6,8-9,15,19,30,35H,4-5,7H2,(H2,22,25)(H2,23,26)(H,27,31)(H,33,34)/p-1/b28-14+